sodium;dimethylazanide;N-phenylaniline

C14H17N2Na — CID 87793775

IUPACsodium;dimethylazanide;N-phenylaniline
SMILESC[N-]C.[Na+].c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C2H6N.Na/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2;/h1-10,13H;1-2H3;/q;-1;+1
InChIKeyULBYCTMDUAHEPG-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.05
Rot. Bonds2

About sodium;dimethylazanide;N-phenylaniline

sodium;dimethylazanide;N-phenylaniline (PubChem CID 87793775) has the molecular formula C14H17N2Na and a molecular weight of 236.29 g/mol. Its IUPAC name is sodium;dimethylazanide;N-phenylaniline.

Molecular Properties

Compound Namesodium;dimethylazanide;N-phenylaniline
PubChem CID87793775
Molecular FormulaC14H17N2Na
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Namesodium;dimethylazanide;N-phenylaniline
SMILESC[N-]C.[Na+].c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C2H6N.Na/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2;/h1-10,13H;1-2H3;/q;-1;+1
InChIKeyULBYCTMDUAHEPG-UHFFFAOYSA-N
XLogP1.05
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium;dimethylazanide;N-phenylaniline?
The IUPAC name of sodium;dimethylazanide;N-phenylaniline (CID 87793775) is sodium;dimethylazanide;N-phenylaniline.
What is the SMILES notation for sodium;dimethylazanide;N-phenylaniline?
The canonical SMILES for sodium;dimethylazanide;N-phenylaniline is C[N-]C.[Na+].c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of sodium;dimethylazanide;N-phenylaniline?
The InChIKey is ULBYCTMDUAHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C2H6N.Na/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2;/h1-10,13H;1-2H3;/q;-1;+1.
What are the key properties of sodium;dimethylazanide;N-phenylaniline?
sodium;dimethylazanide;N-phenylaniline has a molecular weight of 236.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dimethylazanide;N-phenylaniline is sourced from PubChem (CID 87793775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).